[CP2K-user] please comment;

Espen Tangen espen... at gmail.com
Mon May 13 12:52:09 UTC 2019


Number of FAILED  tests 0
Number of WRONG   tests 1
Number of CORRECT tests 3053
Number of NEW     tests 19
Total number of   tests 3073
GREPME 0 1 3053 19 3073 X
--------------------------------------------------------------------------
Regtest took 1423.00 seconds.


Failed test is: 

Fist/regtest-1-4/water_atprop_ewald.inp.out : 
 POTENTIAL ENERGY : ref = 0.375664704477E-02 new = 0.375664704476E-02  
 relative error :   2.66189859e-12 >  numerical tolerance = 1.0E-14  


May I regard this as satisfying, or do I need to do anything about the compilation/code?

Note that I get no errors for popt and O2 flag, with intel compiler 2017.0.4.

Regards

Et.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190513/20facd52/attachment.htm>


More information about the CP2K-user mailing list